UCSF

ZINC23165202

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 21 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) 3.69 7.45 -14.3 1 5 0 83 303.701 4
Hi High (pH 8-9.5) 3.69 8.24 -53.39 0 5 -1 86 302.693 4

Activity (Go SEA)

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