UCSF

ZINC19903886

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 3.52 4.64 -7.48 2 3 0 41 243.306 5
Hi High (pH 8-9.5) 3.52 5.41 -45.74 1 3 -1 44 242.298 5

Activity (Go SEA)

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