UCSF

ZINC36731498

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 1.87 4.19 -60.2 4 4 1 68 263.361 5
Hi High (pH 8-9.5) 1.87 5.15 -93.47 3 4 0 71 262.353 5

Activity (Go SEA)

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