UCSF

ZINC44712602

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 12 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) 1.15 0.52 -33.17 1 4 -1 65 183.574 0
Mid Mid (pH 6-8) 1.15 -0.26 -8.35 2 4 0 62 184.582 0
Mid Mid (pH 6-8) 0.48 2.01 -11.83 2 4 0 62 184.582 0

Activity (Go SEA)

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