UCSF

ZINC33121321

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 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) 1.90 4.36 -53.57 3 8 1 96 480.01 5
Hi High (pH 8-9.5) 1.90 4.44 -68.36 2 8 0 98 479.002 5
Hi High (pH 8-9.5) 1.90 3.02 -43.04 1 8 -1 93 477.994 5

Activity (Go SEA)

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