UCSF

ZINC31892286

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 No

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) 3.73 10.09 -74.17 1 4 0 54 291.391 10
Hi High (pH 8-9.5) 3.73 7.81 -51.23 0 4 -1 53 290.383 10

Activity (Go SEA)

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