UCSF

ZINC20900103

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 33 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) 3.43 10.06 -11.1 0 6 0 63 491.346 5
Mid Mid (pH 6-8) 3.43 12.39 -49.46 1 6 1 64 492.354 5

Activity (Go SEA)

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