UCSF

ZINC37783509

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.86 4.95 -10.72 2 4 0 54 267.332 6
Lo Low (pH 4.5-6) 1.86 5.35 -42.1 3 4 1 55 268.34 6

Activity (Go SEA)

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