UCSF

ZINC60025641

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 34 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) 6.14 12.42 -101.1 6 4 2 74 454.614 11
Hi High (pH 8-9.5) 6.14 12.09 -51.33 5 4 1 72 453.606 11
Hi High (pH 8-9.5) 6.14 11.76 -8.36 4 4 0 71 452.598 11

Activity (Go SEA)

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