UCSF

ZINC37847483

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) 2.23 2.96 -43.19 3 4 1 55 319.219 8
Hi High (pH 8-9.5) 2.23 1.76 -7.17 2 4 0 51 318.211 8

Activity (Go SEA)

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