UCSF

ZINC08871823

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.64 7.23 -57.61 2 7 1 84 428.896 6
Mid Mid (pH 6-8) 1.06 7.88 -70.13 1 7 1 81 428.896 6
Lo Low (pH 4.5-6) 2.09 7.17 -127.49 3 7 2 85 429.904 5
Lo Low (pH 4.5-6) 1.06 8.16 -130.01 2 7 2 82 429.904 6

Activity (Go SEA)

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