UCSF

ZINC22972575

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 21 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) 1.20 1.16 -14.88 2 6 0 85 316.354 4
Mid Mid (pH 6-8) 1.20 1.22 -41.39 1 6 -1 87 315.346 4

Activity (Go SEA)

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