UCSF

ZINC01413321

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 36 No

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) 4.05 10.15 -18.53 1 7 0 85 491.515 9
Mid Mid (pH 6-8) 3.47 10.83 -27.21 0 7 0 82 491.515 9

Activity (Go SEA)

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