UCSF

ZINC32602736

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) -0.91 -3.18 -49.23 7 7 1 129 259.33 7
Hi High (pH 8-9.5) -0.91 -4.16 -10.38 6 7 0 127 258.322 7

Activity (Go SEA)

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