UCSF

ZINC34684416

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 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) 2.30 4.78 -9.26 0 7 0 56 437.466 5
Mid Mid (pH 6-8) 2.30 7.05 -53.96 1 7 1 57 438.474 5
Mid Mid (pH 6-8) 2.30 7.14 -44.01 1 7 1 57 438.474 5
Mid Mid (pH 6-8) 2.30 9.39 -106.12 2 7 2 58 439.482 5

Activity (Go SEA)

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