UCSF

ZINC32240763

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 15 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) -1.07 -2.15 -11.51 2 6 0 84 216.168 1
Hi High (pH 8-9.5) -0.62 -4.89 -53.08 1 6 -1 87 215.16 1

Activity (Go SEA)

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