UCSF

ZINC00110256

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 2.55 1.54 -7.04 0 3 0 46 196.209 2
Lo Low (pH 4.5-6) 2.55 2.12 -34.63 1 3 1 47 197.217 2

Activity (Go SEA)

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