UCSF

ZINC62954240

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 2.34 4.66 -40.7 4 4 1 63 242.387 5
Hi High (pH 8-9.5) 2.34 2.82 -4.13 3 4 0 62 241.379 5

Activity (Go SEA)

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