UCSF

ZINC35500612

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 1.82 1.62 -8.93 2 4 0 58 246.188 3
Mid Mid (pH 6-8) 2.28 -1.01 -44.44 1 4 -1 61 245.18 3
Mid Mid (pH 6-8) 1.82 2.84 -53.68 3 4 1 63 247.196 3

Activity (Go SEA)

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