UCSF

ZINC36125326

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 1.25 4.29 -46.67 2 7 1 74 395.549 6
Mid Mid (pH 6-8) 1.25 6.36 -116.53 3 7 2 75 396.557 6
Mid Mid (pH 6-8) 1.25 3.89 -48.73 2 7 1 74 395.549 6

Activity (Go SEA)

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