UCSF

ZINC66180737

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 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) 3.94 10.52 -39.59 2 2 1 26 284.423 7
Hi High (pH 8-9.5) 3.94 9.3 -4.3 1 2 0 21 283.415 7

Activity (Go SEA)

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