UCSF

ZINC28331734

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 37 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) 4.20 7.52 -14.6 3 8 0 92 502.615 11
Mid Mid (pH 6-8) 4.20 9.86 -53.83 4 8 1 93 503.623 11

Activity (Go SEA)

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