UCSF

ZINC31886550

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 1.34 3.6 -11.62 1 4 0 51 189.218 1
Mid Mid (pH 6-8) 1.34 4.34 -52.62 0 4 -1 54 188.21 1

Activity (Go SEA)

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