UCSF

ZINC36995232

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.45 9.24 -4.48 1 2 0 21 281.399 5
Mid Mid (pH 6-8) 3.45 10.04 -39.67 2 2 1 26 282.407 5

Activity (Go SEA)

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