UCSF

ZINC30963813

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 30 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) 2.14 7.95 -56.62 1 7 1 58 429.566 5
Hi High (pH 8-9.5) 2.14 5.76 -17 0 7 0 56 428.558 5

Activity (Go SEA)

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