UCSF

ZINC36804226

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 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) 3.13 7.63 -109 3 3 2 30 317.271 6
Mid Mid (pH 6-8) 3.13 5.56 -34.53 2 3 1 29 316.263 6
Mid Mid (pH 6-8) 3.13 6.34 -29.88 2 3 1 26 316.263 6

Activity (Go SEA)

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