UCSF

ZINC31992634

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) -0.62 1.64 -55 3 4 1 65 183.231 1
Mid Mid (pH 6-8) -0.62 1.35 -7.7 2 4 0 63 182.223 1
Mid Mid (pH 6-8) -0.62 1.34 -6.49 2 4 0 63 182.223 1

Activity (Go SEA)

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