UCSF

ZINC23471780

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2009 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) 4.70 10.97 -32.23 1 2 1 8 303.514 3
Hi High (pH 8-9.5) 4.70 8.81 -0.76 0 2 0 6 302.506 3
Hi High (pH 8-9.5) 4.70 10.63 -33.01 1 2 1 8 303.514 3

Activity (Go SEA)

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