UCSF

ZINC37783550

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) 1.80 5 -10.74 2 4 0 54 267.332 6
Lo Low (pH 4.5-6) 1.80 5.47 -43.99 3 4 1 55 268.34 6

Activity (Go SEA)

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