UCSF

ZINC37266782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 15 Yes

Other Names:

MFCD14697208

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) -0.71 2.01 -42.47 3 4 1 57 215.317 3
Hi High (pH 8-9.5) -0.71 1.81 -7.15 2 4 0 56 214.309 3

Activity (Go SEA)

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