UCSF

ZINC34993541

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 1.77 7.73 -127.03 3 4 2 54 261.369 7
Mid Mid (pH 6-8) 1.77 6.37 -40.36 2 4 1 49 260.361 7

Activity (Go SEA)

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