UCSF

ZINC12810410

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 29 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) 3.70 12.24 -15.09 0 5 0 47 389.43 6
Mid Mid (pH 6-8) 3.70 12.68 -39.1 1 5 1 48 390.438 6

Activity (Go SEA)

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