UCSF

ZINC31543228

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 28 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) -1.90 -1.29 -161.19 6 15 -2 241 457.254 6
Lo Low (pH 4.5-6) -1.90 -2.49 -75.17 7 15 -1 238 458.262 6

Activity (Go SEA)

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