UCSF

ZINC20230785

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 37 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) 4.12 12.66 -72.24 1 8 0 93 510.631 14
Hi High (pH 8-9.5) 4.12 10.45 -57.73 0 8 -1 91 509.623 14
Lo Low (pH 4.5-6) 4.12 11.84 -55.9 2 8 1 90 511.639 14

Activity (Go SEA)

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