UCSF

ZINC03877716

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 27 Yes

Other Names:

MFCD01136804

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) 2.52 7.03 -22.79 1 7 0 82 387.461 6
Hi High (pH 8-9.5) 2.52 7.53 -70.15 0 7 -1 84 386.453 6

Activity (Go SEA)

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