UCSF

ZINC39912060

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.26 11.85 -14.58 2 7 0 88 491.632 10
Hi High (pH 8-9.5) 6.03 12.18 -57.89 0 7 -1 87 490.624 10
Hi High (pH 8-9.5) 6.03 12.19 -51.57 0 7 -1 87 490.624 10
Hi High (pH 8-9.5) 6.26 12.86 -44.05 1 7 -1 91 490.624 10

Activity (Go SEA)

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