UCSF

ZINC37995056

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) -0.12 4.01 -37.21 2 5 0 74 256.224 7
Hi High (pH 8-9.5) -0.12 2.29 -45.91 1 5 -1 72 255.216 7

Activity (Go SEA)

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