UCSF

ZINC08779382

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 33 No

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) 1.55 0.14 -46.34 2 9 1 102 457.503 8
Mid Mid (pH 6-8) 0.97 0.16 -54.55 1 9 1 99 457.503 8

Activity (Go SEA)

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