UCSF

ZINC32815253

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 26 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) 3.40 8.22 -47.81 3 5 1 49 353.49 5
Mid Mid (pH 6-8) 3.40 5.76 -12.35 2 5 0 48 352.482 5
Lo Low (pH 4.5-6) 3.40 10.14 -128.09 4 5 2 50 354.498 5

Activity (Go SEA)

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