UCSF

ZINC34590753

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 32 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) 5.50 11.32 -48.83 3 5 1 64 430.572 9
Hi High (pH 8-9.5) 5.50 10.13 -11.82 2 5 0 59 429.564 9
Lo Low (pH 4.5-6) 5.50 11.95 -77.96 4 5 2 65 431.58 9

Activity (Go SEA)

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