UCSF

ZINC20057792

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 26 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) 1.67 6.98 -70.27 1 7 0 91 358.394 8
Hi High (pH 8-9.5) 1.67 4.67 -59.59 0 7 -1 90 357.386 8

Activity (Go SEA)

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