UCSF

ZINC19372198

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 23 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) 2.92 8.05 -42.1 1 4 1 26 311.405 4
Mid Mid (pH 6-8) 2.92 7.99 -43 1 4 1 26 311.405 4
Mid Mid (pH 6-8) 2.92 5.67 -6.31 0 4 0 25 310.397 4

Activity (Go SEA)

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