UCSF

ZINC32110374

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 17 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) 1.86 1.3 -12.25 2 4 0 66 257.355 7
Hi High (pH 8-9.5) 1.86 1 -42.45 1 4 -1 68 256.347 7

Activity (Go SEA)

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