UCSF

ZINC19361687

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 27 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) 4.08 10.48 -35.1 1 3 1 11 384.975 5
Mid Mid (pH 6-8) 4.08 10.64 -37.88 1 3 1 11 384.975 5
Mid Mid (pH 6-8) 4.08 12.9 -107.32 2 3 2 12 385.983 5

Activity (Go SEA)

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