UCSF

ZINC44675831

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 14 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) 1.00 5.16 -118.27 5 2 2 44 192.306 4
Mid Mid (pH 6-8) 1.00 4.84 -32.91 4 2 1 43 191.298 4
Mid Mid (pH 6-8) 1.00 3.96 -37.28 4 2 1 40 191.298 4

Activity (Go SEA)

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