UCSF

ZINC00057160

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 0.08 -7.98 -12.21 3 9 0 117 307.31 2
Lo Low (pH 4.5-6) 0.08 -7.84 -31.94 4 9 1 118 308.318 2

Activity (Go SEA)

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