UCSF

ZINC60141110

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 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) 4.14 6.67 -9.01 1 3 0 46 311.353 3
Mid Mid (pH 6-8) 4.14 6.93 -43.3 0 3 -1 48 310.345 3

Activity (Go SEA)

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