UCSF

ZINC08837251

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 30 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) 2.59 6.66 -57.58 0 7 -1 86 474.331 7
Mid Mid (pH 6-8) 2.01 -0.67 -51.02 1 7 1 81 476.347 7
Mid Mid (pH 6-8) 2.59 8.99 -75.23 1 7 0 87 475.339 7

Activity (Go SEA)

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