UCSF

ZINC35429903

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 0.09 4.17 -53.43 3 5 1 57 267.378 3
Hi High (pH 8-9.5) 0.09 2.72 -11.3 2 5 0 53 266.37 3

Activity (Go SEA)

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