UCSF

ZINC44810630

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 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) 1.24 5.3 -10.31 1 5 0 79 246.266 6
Hi High (pH 8-9.5) 1.43 3.34 -41.35 0 5 -1 86 245.258 6

Activity (Go SEA)

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