UCSF

ZINC22027676

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 21 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) 3.88 10.24 -109.89 3 2 2 21 304.4 9
Hi High (pH 8-9.5) 3.88 7 -2.98 1 2 0 15 302.384 9
Mid Mid (pH 6-8) 3.89 9.23 -33.81 2 2 1 16 303.392 9

Activity (Go SEA)

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