UCSF

ZINC19527155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 28 Yes

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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) 2.64 8.01 -35.32 1 6 1 48 384.5 8
Hi High (pH 8-9.5) 2.64 7.18 -6.24 0 6 0 47 383.492 8
Mid Mid (pH 6-8) 2.64 8.55 -33.81 1 6 1 48 384.5 8
Mid Mid (pH 6-8) 2.64 8.94 -91.1 2 6 2 50 385.508 8

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

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