UCSF

ZINC37835592

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.45 7.62 -57.65 0 5 -1 84 253.322 6
Lo Low (pH 4.5-6) 1.45 5.78 -16.12 1 5 0 81 254.33 6

Activity (Go SEA)

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