UCSF

ZINC20082964

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 31 No

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) 2.20 4.73 -62.38 1 7 -1 93 421.473 6
Mid Mid (pH 6-8) 2.20 7.08 -76.81 2 7 0 94 422.481 6
Lo Low (pH 4.5-6) 2.20 6.25 -58.68 3 7 1 92 423.489 6

Activity (Go SEA)

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