UCSF

ZINC60206657

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2011 18 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) 0.30 -0.3 -13.61 3 7 0 91 254.29 1
Hi High (pH 8-9.5) 0.48 -2.93 -45.55 2 7 -1 97 253.282 1

Activity (Go SEA)

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