UCSF

ZINC58649965

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2011 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) -4.23 2.55 -80.48 4 7 -1 137 245.255 8
Hi High (pH 8-9.5) -4.23 2.26 -92.49 3 7 -2 135 244.247 8

Activity (Go SEA)

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