UCSF

ZINC15834451

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 27 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) 3.84 9.89 -12.65 1 6 0 92 381.457 6
Lo Low (pH 4.5-6) 3.84 10.1 -40.99 2 6 1 93 382.465 6

Activity (Go SEA)

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