UCSF

ZINC36673454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 17 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) 1.52 4.6 -49.67 2 4 1 44 232.307 1
Mid Mid (pH 6-8) 1.52 3.32 -11.51 1 4 0 39 231.299 1
Lo Low (pH 4.5-6) 1.52 5.11 -95.09 3 4 2 45 233.315 1

Activity (Go SEA)

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