UCSF

ZINC40175367

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 17 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) 1.81 1.93 -52.6 3 5 1 72 235.263 4
Hi High (pH 8-9.5) 1.81 1.53 -11.18 2 5 0 71 234.255 4

Activity (Go SEA)

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