UCSF

ZINC27641489

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 28 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) 2.29 4.16 -56.22 3 6 -1 110 389.468 11
Lo Low (pH 4.5-6) 2.29 3.04 -17.84 4 6 0 107 390.476 11

Activity (Go SEA)

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