UCSF

ZINC32180037

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 17 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) 1.02 2.45 -7.85 2 4 0 50 298.184 1
Mid Mid (pH 6-8) 1.02 4.86 -45.85 3 4 1 51 299.192 1

Activity (Go SEA)

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