UCSF

ZINC32577752

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.39 6.73 -33.26 1 3 1 17 255.426 5
Hi High (pH 8-9.5) 2.39 4.5 -1.76 0 3 0 16 254.418 5
Lo Low (pH 4.5-6) 2.39 8.86 -102.71 2 3 2 18 256.434 5

Activity (Go SEA)

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