UCSF

ZINC40073565

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 24 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) 1.81 7.27 -24.24 1 6 0 75 385.276 3
Hi High (pH 8-9.5) 2.00 5.25 -56.36 0 6 -1 82 384.268 3

Activity (Go SEA)

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