UCSF

ZINC32520296

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 23 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) 3.26 6.68 -39.74 1 4 1 20 318.485 5
Hi High (pH 8-9.5) 3.26 6.76 -37.93 1 4 1 20 318.485 5
Lo Low (pH 4.5-6) 3.26 9.03 -108.55 2 4 2 21 319.493 5

Activity (Go SEA)

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