UCSF

ZINC22172283

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 15 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) 2.19 6.2 -127.42 4 2 2 32 273.218 4
Mid Mid (pH 6-8) 2.19 4.06 -45.82 3 2 1 31 272.21 4

Activity (Go SEA)

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