UCSF

ZINC08974610

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 22 Yes

Other Names:

MFCD07639770

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) 2.43 5.06 -12.18 1 5 0 62 315.398 1
Lo Low (pH 4.5-6) 2.61 2.91 -32.48 2 5 1 67 316.406 1
Lo Low (pH 4.5-6) 2.43 5.4 -36.27 2 5 1 64 316.406 1

Activity (Go SEA)

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