UCSF

ZINC32075990

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 18 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) 3.31 6.29 -49.35 3 2 1 31 312.275 4
Hi High (pH 8-9.5) 3.31 7.85 -30.73 3 2 1 30 312.275 4

Activity (Go SEA)

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