UCSF

ZINC37473276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 14 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) 1.32 2.21 -36.07 3 4 1 63 204.29 6
Mid Mid (pH 6-8) 1.32 0.99 -4.89 2 4 0 59 203.282 6

Activity (Go SEA)

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