UCSF

ZINC41655498

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 4.14 8.06 -58.9 0 4 -1 62 272.324 5
Mid Mid (pH 6-8) 4.14 8.41 -54.06 1 4 0 63 273.332 5

Activity (Go SEA)

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