UCSF

ZINC34382598

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 21 No

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) 1.83 5.55 -33.39 3 5 1 60 304.443 4
Mid Mid (pH 6-8) 1.83 6.01 -66.7 4 5 2 61 305.451 4
Mid Mid (pH 6-8) 1.83 5.23 -9.19 2 5 0 58 303.435 4

Activity (Go SEA)

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