UCSF

ZINC44517356

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) 2.07 7.91 -73.48 3 3 2 21 255.45 5
Mid Mid (pH 6-8) 2.07 6.73 -96.64 3 3 2 24 255.45 5
Lo Low (pH 4.5-6) 2.07 8.97 -174.35 4 3 3 25 256.458 5

Activity (Go SEA)

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