UCSF

ZINC45654936

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 3.33 6.89 -37.18 2 2 1 20 247.406 4
Hi High (pH 8-9.5) 3.33 5.95 -2.03 1 2 0 15 246.398 4
Mid Mid (pH 6-8) 3.33 8.3 -32.91 2 2 1 16 247.406 4

Activity (Go SEA)

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