UCSF

ZINC20917528

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 32 Yes

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) 3.12 8.53 -14.82 2 5 0 67 435.474 5
Lo Low (pH 4.5-6) 3.12 10.38 -59.58 3 5 1 68 436.482 5

Activity (Go SEA)

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