UCSF

ZINC36876957

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 1.60 5.33 -48.01 4 3 1 56 285.198 3
Hi High (pH 8-9.5) 1.60 5.93 -7.26 3 3 0 55 284.19 3
Lo Low (pH 4.5-6) 1.60 6.31 -123.23 5 3 2 58 286.206 3

Activity (Go SEA)

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