UCSF

ZINC32441164

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2009 20 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) 1.98 4.56 -29.49 1 5 0 56 303.472 5
Mid Mid (pH 6-8) 1.98 3.29 -43.48 2 5 1 57 304.48 5
Mid Mid (pH 6-8) 1.98 4.98 -41.36 2 5 1 54 304.48 5

Activity (Go SEA)

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