UCSF

ZINC44415754

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 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) 0.29 2.57 -49.17 2 4 1 40 254.276 5
Mid Mid (pH 6-8) 0.29 1.27 -9.51 1 4 0 36 253.268 5
Mid Mid (pH 6-8) 0.29 4.14 -104.83 3 4 2 41 255.284 5
Mid Mid (pH 6-8) 0.29 2.85 -42.4 2 4 1 37 254.276 5

Activity (Go SEA)

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