UCSF

ZINC39848300

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.95 11.85 -68.18 1 6 0 74 487.394 9
Lo Low (pH 4.5-6) 3.95 11.13 -47.02 2 6 1 71 488.402 9

Activity (Go SEA)

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