UCSF

ZINC36777357

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 0.07 4.5 -49 3 4 1 53 286.399 6
Mid Mid (pH 6-8) 0.07 4.56 -107.47 4 4 2 54 287.407 6
Lo Low (pH 4.5-6) 0.07 6.22 -119.79 4 4 2 54 287.407 6

Activity (Go SEA)

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