UCSF

ZINC34684725

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 27 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) 2.53 8.48 -45.14 2 5 1 40 367.517 7
Mid Mid (pH 6-8) 2.53 10.7 -90.38 3 5 2 41 368.525 7

Activity (Go SEA)

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