UCSF

ZINC43425710

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 0.90 0.78 -2.21 1 3 0 24 210.321 1
Mid Mid (pH 6-8) 0.90 2.1 -40.2 2 3 1 29 211.329 1
Lo Low (pH 4.5-6) 0.90 4.27 -106.84 3 3 2 30 212.337 1
Lo Low (pH 4.5-6) 0.90 2.95 -30.58 2 3 1 26 211.329 1

Activity (Go SEA)

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