UCSF

ZINC19839358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 2.24 6.37 -44.39 2 4 1 45 263.361 2
Hi High (pH 8-9.5) 2.24 7.02 -77.9 1 4 0 48 262.353 2

Activity (Go SEA)

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