UCSF

ZINC09546089

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 33 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) 3.85 3.64 -16.51 1 9 0 115 491.591 10
Hi High (pH 8-9.5) 3.85 3.72 -48.16 0 9 -1 117 490.583 10
Lo Low (pH 4.5-6) 3.85 4.3 -43.73 2 9 1 116 492.599 10

Activity (Go SEA)

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