UCSF

ZINC27789158

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 23 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) 3.83 12.19 -43.58 1 3 1 22 306.433 4
Mid Mid (pH 6-8) 3.83 9.65 -8.22 0 3 0 21 305.425 4

Activity (Go SEA)

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