UCSF

ZINC44893965

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) 1.35 6.26 -8.95 0 4 0 36 251.355 2
Lo Low (pH 4.5-6) 1.35 6.7 -35.06 1 4 1 38 252.363 2

Activity (Go SEA)

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