UCSF

ZINC32820536

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.31 7.3 -41.65 2 3 1 34 251.394 3
Hi High (pH 8-9.5) 2.31 5.05 -7.94 1 3 0 32 250.386 3

Activity (Go SEA)

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