UCSF

ZINC34023781

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 29 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) 1.53 -4.48 -16.64 6 8 0 144 402.399 4
Hi High (pH 8-9.5) 1.53 -3.58 -57.55 5 8 -1 147 401.391 4

Activity (Go SEA)

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