UCSF

ZINC44683813

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 1.53 3.09 -43.01 3 3 1 40 233.335 4
Lo Low (pH 4.5-6) 1.53 5.49 -115.35 4 3 2 41 234.343 4
Lo Low (pH 4.5-6) 1.53 4.24 -33.61 3 3 1 37 233.335 4

Activity (Go SEA)

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