UCSF

ZINC37828060

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.81 7.86 -62.35 0 5 -1 70 280.275 6
Lo Low (pH 4.5-6) 1.81 5.93 -21.95 1 5 0 67 281.283 6

Activity (Go SEA)

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