UCSF

ZINC06492911

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 25 No

Other Names:

MFCD02158239

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) 3.14 8.23 -56.85 0 4 -1 60 336.342 5
Mid Mid (pH 6-8) 2.55 1.87 -10.42 0 4 0 54 337.35 5
Mid Mid (pH 6-8) 3.58 1.51 -17.56 1 4 0 57 337.35 4

Activity (Go SEA)

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