UCSF

ZINC37835453

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) 0.06 4.53 -55.25 0 5 -1 64 235.263 3
Lo Low (pH 4.5-6) 0.06 6.77 -59.1 1 5 0 65 236.271 3
Lo Low (pH 4.5-6) 0.06 2.58 -15.77 1 5 0 61 236.271 3

Activity (Go SEA)

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