UCSF

ZINC41681800

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.37 2.71 -42.95 5 7 1 102 381.32 8
Hi High (pH 8-9.5) 1.37 0.6 -8.3 4 7 0 100 380.312 8

Activity (Go SEA)

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