UCSF

ZINC43967443

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 3.81 11.13 -113.67 3 2 2 21 274.452 7
Hi High (pH 8-9.5) 3.81 8.42 -1.83 1 2 0 15 272.436 7
Mid Mid (pH 6-8) 3.81 10 -33.93 2 2 1 16 273.444 7
Mid Mid (pH 6-8) 3.81 9.24 -31.26 2 2 1 20 273.444 7

Activity (Go SEA)

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