UCSF

ZINC34691451

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) 1.70 4.41 -12.92 1 7 0 71 462.509 12
Mid Mid (pH 6-8) 1.70 6.77 -47.14 2 7 1 73 463.517 12

Activity (Go SEA)

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