UCSF

ZINC00185415

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Other Names:

MFCD00761950

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) 2.36 3.88 -6.7 1 3 0 47 246.184 1
Hi High (pH 8-9.5) 2.36 4.64 -42.88 0 3 -1 49 245.176 1

Activity (Go SEA)

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