UCSF

ZINC43259396

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 4.04 9.1 -37.19 3 2 1 30 372.327 6
Hi High (pH 8-9.5) 4.04 6.83 -3.86 2 2 0 29 371.319 6
Mid Mid (pH 6-8) 4.04 9.5 -124.46 4 2 2 32 373.335 6
Mid Mid (pH 6-8) 4.04 7.14 -49.38 3 2 1 31 372.327 6

Activity (Go SEA)

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