UCSF

ZINC08762684

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 17 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) 0.97 0.29 -40.6 1 5 -1 78 228.231 3
Lo Low (pH 4.5-6) 0.52 2.13 -8.06 2 5 0 75 229.239 3

Activity (Go SEA)

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