UCSF

ZINC00093290

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 4.42 2.35 -11.45 0 3 0 53 340.423 4
Lo Low (pH 4.5-6) 4.42 2.46 -46.04 1 3 1 55 341.431 4

Activity (Go SEA)

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