UCSF

ZINC36782067

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 0.75 3.5 -45.08 3 6 0 95 237.259 5
Mid Mid (pH 6-8) 0.75 3.03 -53.19 2 6 -1 94 236.251 5

Activity (Go SEA)

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