UCSF

ZINC12010325

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 33 No

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Annotations

None

Vendors

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) 3.08 11.66 -43.21 2 11 0 152 446.423 5
Mid Mid (pH 6-8) 3.08 12.56 -21.72 2 11 0 152 446.423 5
Mid Mid (pH 6-8) 3.54 11.35 -59.39 1 11 -1 155 445.415 5

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