UCSF

ZINC70039986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 22 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) 2.72 7.53 -39.67 2 5 1 51 305.446 4
Hi High (pH 8-9.5) 2.72 5.62 -13.02 1 5 0 50 304.438 4

Activity (Go SEA)

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