UCSF

ZINC22583909

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 19 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) 1.95 5.25 -35 2 4 1 37 268.425 4
Hi High (pH 8-9.5) 1.95 2.98 -7.44 1 4 0 36 267.417 4
Mid Mid (pH 6-8) 1.95 5.2 -33.32 2 4 1 37 268.425 4

Activity (Go SEA)

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