UCSF

ZINC06522527

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 14 No

Other Names:

MFCD11646127

Download: MOL2 SDF SMILES Flexibase

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) 2.62 6.5 -43.4 1 3 -1 42 204.278 2
Mid Mid (pH 6-8) 2.62 6.61 -29.23 2 3 0 43 205.286 2

Activity (Go SEA)

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