UCSF

ZINC41809585

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 14 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) 0.40 6.15 -35.24 2 3 0 57 278.171 4
Mid Mid (pH 6-8) 0.40 4.95 -43.3 1 3 -1 52 277.163 4

Activity (Go SEA)

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