UCSF

ZINC63743537

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 27 No

Popular Name: [4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]-[(3S)-4,5,6,7-tetrahydro-3H-indazol-3-yl]methanone [4-(1,2-benzoxazol-3-ylmethyl)pi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 4.47 -18.44 0 7 0 74 365.437 3 ↓
Mid Mid (pH 6-8) 2.68 6.67 -64.89 1 7 1 76 366.445 3 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.