UCSF

ZINC37098535

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) 1.04 2.23 -34.6 1 2 0 19 156.273 3
Mid Mid (pH 6-8) 1.05 2.59 -37.2 2 2 1 20 157.281 3
Mid Mid (pH 6-8) 1.04 3.52 -31.23 2 2 1 16 157.281 3
Lo Low (pH 4.5-6) 1.05 4.87 -97.15 3 2 2 21 158.289 3

Activity (Go SEA)

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