UCSF

ZINC20358788

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 20 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) 0.84 4.99 -111.21 4 5 2 63 279.384 5
Hi High (pH 8-9.5) 0.84 1.48 -7.17 2 5 0 58 277.368 5
Hi High (pH 8-9.5) 0.84 3.9 -40.7 3 5 1 59 278.376 5
Mid Mid (pH 6-8) 0.84 2.57 -39.4 3 5 1 62 278.376 5

Activity (Go SEA)

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