UCSF

ZINC42287260

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 17 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) 0.08 0.35 -38.22 3 5 1 57 242.343 6
Mid Mid (pH 6-8) 0.08 0.53 -34.99 3 5 1 57 242.343 6
Mid Mid (pH 6-8) 0.08 -1.83 -9.6 2 5 0 56 241.335 6

Activity (Go SEA)

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