UCSF

ZINC34681603

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 27 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) 4.13 9.08 -8.96 1 5 0 48 384.911 5
Mid Mid (pH 6-8) 4.13 11.28 -47.16 2 5 1 50 385.919 5
Mid Mid (pH 6-8) 4.13 9.37 -33.64 2 5 1 50 385.919 5

Activity (Go SEA)

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