UCSF

ZINC34988625

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 1.20 2.27 -39.73 3 5 1 65 265.333 4
Hi High (pH 8-9.5) 1.20 1 -53.36 1 5 -1 67 263.317 4
Mid Mid (pH 6-8) 1.20 -0.01 -10.15 2 5 0 64 264.325 4

Activity (Go SEA)

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