UCSF

ZINC33260502

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2009 32 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) 3.28 9.06 -69.9 2 8 0 99 434.496 5
Hi High (pH 8-9.5) 3.28 6.82 -50.95 1 8 -1 98 433.488 5
Mid Mid (pH 6-8) 3.28 9.2 -95.53 3 8 1 100 435.504 5

Activity (Go SEA)

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