UCSF

ZINC20193001

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 30 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) 1.92 9.16 -75.07 1 7 0 83 408.454 6
Hi High (pH 8-9.5) 1.92 6.62 -59.88 0 7 -1 82 407.446 6
Lo Low (pH 4.5-6) 1.92 8.34 -54.84 2 7 1 81 409.462 6

Activity (Go SEA)

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