UCSF

ZINC31938819

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 34 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) 6.12 10.05 -51.04 3 8 1 97 486.04 11
Hi High (pH 8-9.5) 5.34 9.75 -78.1 2 8 0 100 485.032 12

Activity (Go SEA)

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