UCSF

ZINC36193784

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) 0.95 1.85 -6.93 2 4 0 53 220.272 3
Mid Mid (pH 6-8) 0.95 1.94 -25.47 3 4 0 54 221.28 3
Mid Mid (pH 6-8) 0.95 1.94 -25.42 3 4 0 54 221.28 3

Activity (Go SEA)

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