UCSF

ZINC36639392

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 2.79 6.21 -38.2 3 5 1 68 335.84 4
Hi High (pH 8-9.5) 2.79 5.15 -10.94 2 5 0 66 334.832 4
Hi High (pH 8-9.5) 2.98 4.5 -31.35 2 5 0 74 334.832 4
Hi High (pH 8-9.5) 2.98 3.37 -49.53 1 5 -1 73 333.824 4

Activity (Go SEA)

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