UCSF

ZINC13684577

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 22 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) 3.51 9.9 -101.89 3 3 2 30 306.494 7
Hi High (pH 8-9.5) 3.51 8.72 -33.76 2 3 1 26 305.486 7

Activity (Go SEA)

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