UCSF

ZINC33813134

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 No

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) 3.89 12.28 -74.85 1 8 0 104 505.596 9
Hi High (pH 8-9.5) 3.89 9.41 -56.23 0 8 -1 103 504.588 9
Lo Low (pH 4.5-6) 3.89 11.13 -54.96 2 8 1 101 506.604 9

Activity (Go SEA)

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