UCSF

ZINC61761478

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 15 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) 1.37 6.71 -41.21 1 3 1 25 211.329 1
Hi High (pH 8-9.5) 1.37 4.34 -7.6 0 3 0 24 210.321 1

Activity (Go SEA)

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