UCSF

ZINC42500763

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.05 2.21 -107.43 5 3 2 52 216.369 7
Hi High (pH 8-9.5) 1.05 1.83 -27.41 4 3 1 51 215.361 7

Activity (Go SEA)

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