UCSF

ZINC35022923

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 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) 3.00 7.52 -34.61 1 2 1 22 277.207 4
Mid Mid (pH 6-8) 3.00 5.12 -4.5 0 2 0 20 276.199 4

Activity (Go SEA)

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