UCSF

ZINC32888180

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 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) 1.87 8.36 -39.03 1 3 1 25 265.402 2
Hi High (pH 8-9.5) 1.87 6.18 -8.02 0 3 0 24 264.394 2

Activity (Go SEA)

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