UCSF

ZINC59650598

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 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) 3.24 7.43 -54.1 4 6 1 93 388.484 11
Hi High (pH 8-9.5) 3.24 6.61 -11.7 3 6 0 88 387.476 11

Activity (Go SEA)

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