UCSF

ZINC37869480

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 13 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) 1.42 2.11 -41.08 4 3 1 60 185.291 3
Hi High (pH 8-9.5) 1.42 1.16 -4.77 3 3 0 55 184.283 3

Activity (Go SEA)

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