UCSF

ZINC08739963

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 29 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) 3.69 9.7 -57.28 0 6 -1 86 401.423 4
Lo Low (pH 4.5-6) 3.69 8.95 -12.1 1 6 0 84 402.431 4

Activity (Go SEA)

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