UCSF

ZINC37267593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 12 Yes

Other Names:

MFCD12167353

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) -0.86 0.54 -91.66 5 4 2 61 173.26 2
Mid Mid (pH 6-8) -0.86 0.15 -40.72 4 4 1 60 172.252 2

Activity (Go SEA)

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