UCSF

ZINC37832330

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) 0.14 3.69 -58.61 2 6 -1 104 253.278 5
Lo Low (pH 4.5-6) 0.14 1.73 -12.87 3 6 0 101 254.286 5

Activity (Go SEA)

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