UCSF

ZINC37795977

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 0.68 3.05 -50.63 2 7 -1 115 261.213 3
Mid Mid (pH 6-8) 1.14 0.4 -112.05 1 7 -2 118 260.205 3
Lo Low (pH 4.5-6) 0.68 1.45 -18.18 3 7 0 112 262.221 3

Activity (Go SEA)

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