UCSF

ZINC12008340

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.66 10.5 -37.2 2 8 0 106 389.415 5
Mid Mid (pH 6-8) 3.12 10.16 -55.23 1 8 -1 109 388.407 5
Mid Mid (pH 6-8) 2.66 11.28 -16.44 2 8 0 106 389.415 5

Activity (Go SEA)

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