UCSF

ZINC42865055

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.02 7.6 -34.2 1 3 1 41 244.343 4
Mid Mid (pH 6-8) 2.02 4.83 -10.3 0 3 0 40 243.335 4

Activity (Go SEA)

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