UCSF

ZINC01139546

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 31 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) 4.73 -6.75 -14.81 2 7 0 101 460.577 8
Hi High (pH 8-9.5) 4.73 -6.17 -43.25 1 7 -1 103 459.569 8
Hi High (pH 8-9.5) 4.73 -5.71 -96.16 0 7 -2 105 458.561 8
Hi High (pH 8-9.5) 4.73 -6.29 -46.44 1 7 -1 103 459.569 8

Activity (Go SEA)

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