UCSF

ZINC32501377

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 29 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) 3.45 11.38 -48.2 1 5 1 57 385.443 3
Mid Mid (pH 6-8) 3.45 9.18 -41.88 1 5 1 57 385.443 3
Mid Mid (pH 6-8) 3.45 8.5 -11.73 0 5 0 56 384.435 3

Activity (Go SEA)

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