UCSF

ZINC69531325

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 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) 0.36 1.58 -48.07 4 7 1 97 335.494 7
Hi High (pH 8-9.5) 0.36 -1.01 -43.22 2 7 -1 98 333.478 7
Hi High (pH 8-9.5) 0.36 1.4 -45.07 3 7 0 99 334.486 7
Hi High (pH 8-9.5) 0.36 -0.43 -16.63 3 7 0 96 334.486 7

Activity (Go SEA)

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