UCSF

ZINC45687559

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 1.81 4.38 -28.24 3 4 1 53 222.312 1
Mid Mid (pH 6-8) 1.81 4.06 -5.49 2 4 0 51 221.304 1

Activity (Go SEA)

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