UCSF

ZINC43190941

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 32 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) 4.57 7.8 -51.87 3 12 -1 193 437.344 6
Mid Mid (pH 6-8) 4.57 6.79 -20.04 4 12 0 190 438.352 6
Mid Mid (pH 6-8) 4.57 8.81 -95.43 2 12 -2 196 436.336 6

Activity (Go SEA)

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