UCSF

ZINC34699021

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 35 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) 6.48 14.61 -38.8 2 4 1 45 469.649 7
Mid Mid (pH 6-8) 6.48 12.1 -11.03 1 4 0 44 468.641 7

Activity (Go SEA)

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