UCSF

ZINC37796611

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.51 5.63 -68.47 2 6 -1 98 299.391 9
Lo Low (pH 4.5-6) 1.51 3.28 -8.57 3 6 0 95 300.399 9

Activity (Go SEA)

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