UCSF

ZINC34691465

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 32 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) 1.61 4.89 -14.2 1 7 0 71 460.493 13
Mid Mid (pH 6-8) 1.61 7.2 -49.42 2 7 1 73 461.501 13

Activity (Go SEA)

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