UCSF

ZINC44265735

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 21 Yes

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) 2.40 6.02 -48.05 3 4 1 67 306.817 4
Hi High (pH 8-9.5) 2.40 5.74 -5.23 2 4 0 65 305.809 4

Activity (Go SEA)

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