UCSF

ZINC43232296

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 0.20 2.83 -29.33 3 5 1 58 255.386 7
Hi High (pH 8-9.5) 0.20 1.3 -4.4 2 5 0 56 254.378 7
Mid Mid (pH 6-8) 0.20 3.11 -103.74 4 5 2 59 256.394 7
Mid Mid (pH 6-8) 0.20 1.59 -39.7 3 5 1 58 255.386 7

Activity (Go SEA)

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