UCSF

ZINC00056740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 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) 0.57 7.45 -184.21 0 6 -3 120 255.246 3
Lo Low (pH 4.5-6) 0.57 5.52 -112.02 1 6 -2 118 256.254 3
Lo Low (pH 4.5-6) 0.57 5.5 -102.26 1 6 -2 118 256.254 3

Activity (Go SEA)

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