UCSF

ZINC37831584

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 1.04 6.86 -49.64 0 5 -1 74 236.247 5
Lo Low (pH 4.5-6) 1.04 4.87 -9.8 1 5 0 71 237.255 5

Activity (Go SEA)

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