UCSF

ZINC32553275

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 1.82 5.81 -114.44 4 2 2 32 198.354 3
Mid Mid (pH 6-8) 1.83 5.42 -30.04 3 2 1 30 197.346 3

Activity (Go SEA)

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