UCSF

ZINC34960494

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 0.18 -0.86 -43.46 4 3 1 51 187.307 6
Hi High (pH 8-9.5) 0.19 1.4 -31.64 4 3 1 51 187.307 6

Activity (Go SEA)

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