UCSF

ZINC14990756

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 26 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) 1.38 5.58 -37.73 2 7 1 72 358.466 7
Mid Mid (pH 6-8) 1.38 7.81 -113.13 3 7 2 73 359.474 7
Mid Mid (pH 6-8) 1.38 5.21 -13.98 1 7 0 71 357.458 7

Activity (Go SEA)

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