UCSF

ZINC20230724

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 32 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) 3.84 11.47 -67.1 1 6 0 74 434.536 11
Hi High (pH 8-9.5) 3.84 9.14 -58.91 0 6 -1 73 433.528 11

Activity (Go SEA)

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