UCSF

ZINC42915138

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) 3.79 9.46 -112.73 4 2 2 32 304.503 7
Mid Mid (pH 6-8) 3.79 7.35 -39.88 3 2 1 31 303.495 7
Mid Mid (pH 6-8) 3.79 9.13 -30.64 3 2 1 30 303.495 7

Activity (Go SEA)

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