UCSF

ZINC36855212

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 No

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) -1.52 4.61 -35.3 2 6 0 94 242.275 6
Hi High (pH 8-9.5) -1.52 4.5 -56.86 1 6 -1 90 241.267 6

Activity (Go SEA)

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