UCSF

ZINC08661100

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2007 30 Yes

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) 2.25 9.08 -25.56 1 9 0 111 407.406 5
Mid Mid (pH 6-8) 2.25 10.2 -23.53 0 9 0 108 406.398 5

Activity (Go SEA)

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