UCSF

ZINC41671765

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 14 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) 1.01 7.49 -35.13 1 4 0 59 196.25 4
Hi High (pH 8-9.5) 1.01 7.13 -43.95 0 4 -1 58 195.242 4

Activity (Go SEA)

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