UCSF

ZINC32090192

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 2.32 4.96 -42.87 2 3 1 29 237.367 7
Mid Mid (pH 6-8) 2.32 6.07 -36.93 2 3 1 26 237.367 7
Lo Low (pH 4.5-6) 2.32 7.5 -117.87 3 3 2 30 238.375 7

Activity (Go SEA)

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