UCSF

ZINC32157665

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 0.33 0.21 -56.8 3 6 1 68 295.359 6
Hi High (pH 8-9.5) 0.33 -1.28 -8.32 2 6 0 63 294.351 6
Lo Low (pH 4.5-6) 0.33 1.04 -43.91 3 6 1 64 295.359 6

Activity (Go SEA)

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