UCSF

ZINC27317911

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 26 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) -1.29 4.21 -107.75 3 7 0 96 362.405 5
Mid Mid (pH 6-8) -4.03 3.11 -93.45 4 7 1 99 363.413 4

Activity (Go SEA)

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