UCSF

ZINC44518435

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 1.63 9.31 -172.77 4 3 3 25 256.458 7
Mid Mid (pH 6-8) 1.63 8.09 -73.87 3 3 2 21 255.45 7
Mid Mid (pH 6-8) 1.63 6.86 -95.92 3 3 2 24 255.45 7

Activity (Go SEA)

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