UCSF

ZINC69691517

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 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) 4.45 10.04 -41.15 2 4 1 43 361.55 7
Mid Mid (pH 6-8) 4.45 7.51 -8.87 1 4 0 42 360.542 7

Activity (Go SEA)

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