UCSF

ZINC34681792

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 3.84 10.81 -46.92 2 8 1 77 477.585 8
Hi High (pH 8-9.5) 3.84 8.94 -15.73 1 8 0 76 476.577 8
Lo Low (pH 4.5-6) 3.84 11.12 -103.17 3 8 2 79 478.593 8

Activity (Go SEA)

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