UCSF

ZINC49587729

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 18 Yes

Other Names:

MFCD27882448

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) 1.95 1.06 -44.42 3 5 1 76 266.708 2
Hi High (pH 8-9.5) 1.95 -0.28 -7.12 2 5 0 71 265.7 2

Activity (Go SEA)

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