UCSF

ZINC32099318

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 19 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) 4.29 9.18 -24.54 3 2 1 40 249.337 1
Mid Mid (pH 6-8) 4.29 8.81 -6.75 2 2 0 39 248.329 1

Activity (Go SEA)

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