UCSF

ZINC39614018

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2010 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) 0.93 12.19 -68.55 0 8 -1 95 430.456 5
Mid Mid (pH 6-8) -1.81 10.21 -34.19 1 8 0 98 431.464 4

Activity (Go SEA)

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