UCSF

ZINC35447969

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 31 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) 4.44 10.74 -44.29 2 7 1 87 436.513 5
Mid Mid (pH 6-8) 4.44 10.21 -16.68 1 7 0 86 435.505 5

Activity (Go SEA)

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