UCSF

ZINC34958035

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 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) 2.65 8.73 -101.53 4 2 2 32 256.393 6
Hi High (pH 8-9.5) 2.65 6.85 -47.02 3 2 1 31 255.385 6
Hi High (pH 8-9.5) 2.65 8.34 -34.23 3 2 1 30 255.385 6

Activity (Go SEA)

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