UCSF

ZINC32200358

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 12 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) 3.01 6.58 -4.03 0 1 0 13 161.248 1
Mid Mid (pH 6-8) 3.01 6.96 -28.26 1 1 1 14 162.256 1

Activity (Go SEA)

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