UCSF

ZINC20467574

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 23 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) 2.72 4.11 -36.8 2 7 -1 113 399.246 6
Mid Mid (pH 6-8) 2.72 4.04 -12.52 3 7 0 111 400.254 6

Activity (Go SEA)

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