UCSF

ZINC36125328

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 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) 0.86 3.39 -44.91 2 7 1 74 358.532 6
Mid Mid (pH 6-8) 0.86 5.52 -108.89 3 7 2 75 359.54 6
Mid Mid (pH 6-8) 0.86 3.05 -44.69 2 7 1 74 358.532 6

Activity (Go SEA)

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