UCSF

ZINC37010518

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

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) 2.02 7.32 -50.95 2 5 1 66 278.376 7
Mid Mid (pH 6-8) 2.02 9.78 -130.59 3 5 2 67 279.384 7
Mid Mid (pH 6-8) 2.02 8.58 -42.94 2 5 1 62 278.376 7

Activity (Go SEA)

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