UCSF

ZINC19753613

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 23 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) 1.28 5.29 -52.3 1 7 -1 101 335.361 7
Lo Low (pH 4.5-6) 1.28 4.17 -17.68 2 7 0 98 336.369 7

Activity (Go SEA)

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