UCSF

ZINC22788488

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 4.15 11.94 -34.58 2 4 1 29 368.545 8
Hi High (pH 8-9.5) 4.15 9.65 -4.15 1 4 0 28 367.537 8
Mid Mid (pH 6-8) 4.15 10.02 -40.48 2 4 1 32 368.545 8

Activity (Go SEA)

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