UCSF

ZINC32206929

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 16 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) -0.25 3.11 -45.55 3 4 0 81 254.336 4
Hi High (pH 8-9.5) -0.25 2.79 -49.47 2 4 -1 79 253.328 4

Activity (Go SEA)

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