UCSF

ZINC36875319

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 1.76 6.51 -115.8 4 2 2 32 212.381 1
Hi High (pH 8-9.5) 1.76 6.07 -29.3 3 2 1 30 211.373 1
Hi High (pH 8-9.5) 1.76 4.86 -40.67 3 2 1 31 211.373 1

Activity (Go SEA)

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