UCSF

ZINC36125211

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 0.57 2.74 -46.48 1 6 1 48 307.484 6
Mid Mid (pH 6-8) 0.57 4.89 -103.03 2 6 2 49 308.492 6
Mid Mid (pH 6-8) 0.57 2.4 -41.48 1 6 1 48 307.484 6

Activity (Go SEA)

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