UCSF

ZINC19422056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 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) 1.00 4.88 -41.66 3 3 1 48 221.324 4
Mid Mid (pH 6-8) 1.00 4.55 -7.87 2 3 0 46 220.316 4

Activity (Go SEA)

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