UCSF

ZINC11755500

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2008 18 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) 1.12 -3.99 -49.38 1 6 -1 96 272.302 7
Hi High (pH 8-9.5) 1.12 -3.41 -99.94 0 6 -2 98 271.294 7

Activity (Go SEA)

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