UCSF

ZINC41653427

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) 3.52 7.74 -97.66 3 3 2 24 407.194 5
Mid Mid (pH 6-8) 3.52 5.36 -44.34 2 3 1 23 406.186 5

Activity (Go SEA)

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