UCSF

ZINC09877442

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 29 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) 3.69 3.64 -41.99 1 7 -1 104 435.478 7
Hi High (pH 8-9.5) 3.69 3.77 -108.95 0 7 -2 106 434.47 7
Mid Mid (pH 6-8) 3.69 3.62 -13.62 2 7 0 102 436.486 7
Mid Mid (pH 6-8) 3.69 3.72 -44.93 1 7 -1 104 435.478 7

Activity (Go SEA)

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