UCSF

ZINC22455300

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.40 6.93 -33.57 1 2 1 8 243.321 6
Hi High (pH 8-9.5) 2.40 4.57 -2.68 0 2 0 6 242.313 6
Mid Mid (pH 6-8) 2.40 7.21 -35.41 1 2 1 8 243.321 6
Lo Low (pH 4.5-6) 2.40 9.19 -105.09 2 2 2 9 244.329 6

Activity (Go SEA)

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