UCSF

ZINC32116029

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 1.13 7.69 -63.72 1 5 0 65 268.357 3
Hi High (pH 8-9.5) 1.13 5.5 -56.15 0 5 -1 64 267.349 3

Activity (Go SEA)

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