UCSF

ZINC42915318

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 3.97 8.88 -113.01 4 2 2 32 304.503 6
Mid Mid (pH 6-8) 3.97 7.11 -38.78 3 2 1 31 303.495 6
Mid Mid (pH 6-8) 3.97 8.59 -30.74 3 2 1 30 303.495 6

Activity (Go SEA)

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