UCSF

ZINC37101389

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 4.58 9.22 -8.18 1 2 0 25 280.346 3
Mid Mid (pH 6-8) 4.58 9.57 -31.97 2 2 1 26 281.354 3

Activity (Go SEA)

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