UCSF

ZINC44675830

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 5.17 -115.48 5 2 2 44 192.306 4
Mid Mid (pH 6-8) 1.00 4.75 -31.73 4 2 1 43 191.298 4
Mid Mid (pH 6-8) 1.00 3.85 -36.89 4 2 1 40 191.298 4

Activity (Go SEA)

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