UCSF

ZINC35633943

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 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) 1.52 4.35 -101.89 4 5 2 67 313.467 5
Hi High (pH 8-9.5) 1.52 4.26 -78.23 3 5 1 69 312.459 5

Activity (Go SEA)

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