UCSF

ZINC42580632

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 15 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) 2.90 5.88 -30.06 2 2 1 16 211.373 3
Lo Low (pH 4.5-6) 2.90 7.18 -108.34 3 2 2 21 212.381 3
Lo Low (pH 4.5-6) 2.90 5.21 -36.05 2 2 1 20 211.373 3

Activity (Go SEA)

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