UCSF

ZINC35543017

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 19 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) 1.70 7 -39.82 1 4 1 28 262.377 5
Hi High (pH 8-9.5) 1.70 4.54 -4.91 0 4 0 27 261.369 5
Lo Low (pH 4.5-6) 1.70 9.24 -121.04 2 4 2 29 263.385 5

Activity (Go SEA)

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