UCSF

ZINC44419730

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 18 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) 1.24 4.13 -53.65 4 4 1 63 331.259 3
Mid Mid (pH 6-8) 1.24 2.84 -9.29 3 4 0 58 330.251 3

Activity (Go SEA)

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