UCSF

ZINC32936029

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 35 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) 3.84 7.7 -49.9 3 8 1 102 495.625 9
Hi High (pH 8-9.5) 3.84 7.48 -44.8 1 8 -1 103 493.609 9
Mid Mid (pH 6-8) 3.84 7.41 -16.36 2 8 0 101 494.617 9

Activity (Go SEA)

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