UCSF

ZINC36678066

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 19 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) 1.47 5.13 -84.93 5 4 2 59 262.401 5
Mid Mid (pH 6-8) 1.47 4.86 -102.54 5 4 2 59 262.401 5
Mid Mid (pH 6-8) 1.47 2.87 -33.32 4 4 1 58 261.393 5

Activity (Go SEA)

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