UCSF

ZINC45660330

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 0.39 2.22 -86.6 4 4 2 41 231.384 6
Hi High (pH 8-9.5) 0.39 -0.26 -34.11 3 4 1 40 230.376 6

Activity (Go SEA)

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