UCSF

ZINC12752545

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 30 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) 2.81 8.47 -45.11 3 7 1 79 410.542 7
Mid Mid (pH 6-8) 2.81 6 -11.65 2 7 0 78 409.534 7

Activity (Go SEA)

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