UCSF

ZINC22034708

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 14 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) 1.41 5.69 -35.02 1 3 1 21 192.286 2
Hi High (pH 8-9.5) 1.41 3.31 -4.8 0 3 0 19 191.278 2
Mid Mid (pH 6-8) 1.41 3.59 -29.41 1 3 1 21 192.286 2
Lo Low (pH 4.5-6) 1.41 5.97 -89.4 2 3 2 22 193.294 2

Activity (Go SEA)

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