UCSF

ZINC40290456

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 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) 1.22 3.6 -56.04 3 5 1 66 251.354 2
Mid Mid (pH 6-8) 1.22 3.8 -106.51 4 5 2 67 252.362 2
Mid Mid (pH 6-8) 1.22 3.38 -24.51 3 5 1 66 251.354 2
Mid Mid (pH 6-8) 1.22 3.2 -8.06 2 5 0 64 250.346 2

Activity (Go SEA)

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