UCSF

ZINC44881204

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 1.88 5.38 -42.18 2 3 1 23 252.357 5
Lo Low (pH 4.5-6) 1.88 7.64 -125.91 3 3 2 24 253.365 5
Lo Low (pH 4.5-6) 1.88 6.3 -40.65 2 3 1 20 252.357 5

Activity (Go SEA)

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