UCSF

ZINC37066742

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 1.64 2.71 -40.79 4 5 1 65 239.343 7
Hi High (pH 8-9.5) 1.64 0.23 -4.88 3 5 0 63 238.335 7

Activity (Go SEA)

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