UCSF

ZINC23410614

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 30 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) 4.18 6.19 -28.11 2 7 0 99 429.542 7
Hi High (pH 8-9.5) 4.18 6.98 -61.62 1 7 -1 102 428.534 7

Activity (Go SEA)

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