UCSF

ZINC22034735

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 20 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) 3.55 10.58 -4.81 0 3 0 19 267.376 2
Mid Mid (pH 6-8) 3.55 10.49 -32.26 1 3 1 21 268.384 2
Lo Low (pH 4.5-6) 3.55 10.81 -88.17 2 3 2 22 269.392 2

Activity (Go SEA)

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