UCSF

ZINC11640049

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2008 21 No

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) 4.21 6.59 -7.84 1 4 0 58 360.236 2
Ref Reference (pH 7) 4.21 7 -7.94 1 4 0 58 360.236 2
Hi High (pH 8-9.5) 4.67 4.6 -42.41 0 4 -1 61 359.228 2
Hi High (pH 8-9.5) 4.67 5.28 -41.35 0 4 -1 61 359.228 2

Activity (Go SEA)

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