UCSF

ZINC21982447

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 Yes

Other Names:

MFCD11046436

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) 1.33 4.93 -47.74 0 4 -1 62 202.189 3
Lo Low (pH 4.5-6) 1.33 5.38 -67.53 1 4 0 63 203.197 3

Activity (Go SEA)

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