UCSF

ZINC39911513

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 31 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) 3.82 5.62 -13.91 3 7 0 99 421.497 7
Hi High (pH 8-9.5) 3.59 6.2 -48.28 1 7 -1 98 420.489 7
Hi High (pH 8-9.5) 3.59 5.99 -57.91 1 7 -1 98 420.489 7
Hi High (pH 8-9.5) 3.82 6.74 -42.84 2 7 -1 102 420.489 7

Activity (Go SEA)

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