UCSF

ZINC36755257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) 3.61 7.12 -8.8 1 3 0 46 246.285 2
Hi High (pH 8-9.5) 4.07 5.1 -47.3 0 3 -1 49 245.277 2

Activity (Go SEA)

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