UCSF

ZINC37266797

Substance Information

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

Other Names:

MFCD12167260

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) -1.89 0.14 -47.84 3 4 1 57 173.236 2
Hi High (pH 8-9.5) -1.89 -0.27 -9.43 2 4 0 56 172.228 2

Activity (Go SEA)

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