UCSF

ZINC08742861

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 24 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) 4.12 7.16 -22.11 1 6 0 73 404.245 3
Mid Mid (pH 6-8) 4.18 6.26 -46.96 0 6 -1 80 403.237 3

Activity (Go SEA)

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