UCSF

ZINC38001651

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 3.20 5.35 -34.82 2 2 1 26 279.223 5
Mid Mid (pH 6-8) 3.20 4.28 -3.66 1 2 0 21 278.215 5

Activity (Go SEA)

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