UCSF

ZINC36891544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 3.60 8.58 -64.8 2 4 0 57 262.353 4
Lo Low (pH 4.5-6) 3.60 6.59 -36.8 3 4 1 54 263.361 4

Activity (Go SEA)

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