UCSF

ZINC41680599

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) -1.12 1.55 -43.11 3 6 1 86 227.288 7
Hi High (pH 8-9.5) -0.93 0.26 -62.23 2 6 0 93 226.28 7

Activity (Go SEA)

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