UCSF

ZINC36593856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2009 30 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) 2.53 6.34 -50.39 4 7 1 92 407.494 5
Hi High (pH 8-9.5) 2.53 4.1 -16.02 3 7 0 91 406.486 5
Hi High (pH 8-9.5) 2.71 1.43 -14.46 3 7 0 94 406.486 5

Activity (Go SEA)

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