UCSF

ZINC38002128

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 13 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) 2.35 6.12 -53.83 2 2 1 40 260.18 4
Mid Mid (pH 6-8) 2.35 4.93 -7.28 1 2 0 36 259.172 4

Activity (Go SEA)

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