UCSF

ZINC19477883

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 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) 0.04 2.89 -41.55 4 5 1 66 267.328 3
Mid Mid (pH 6-8) 0.04 2.79 -40.65 4 5 1 66 267.328 3
Mid Mid (pH 6-8) 0.04 0.42 -8.23 3 5 0 65 266.32 3

Activity (Go SEA)

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