UCSF

ZINC36575275

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2009 28 Yes

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) 2.50 9.64 -66.38 1 6 -1 81 396.854 3
Mid Mid (pH 6-8) 2.50 11.58 -51.4 2 6 0 82 397.862 3

Activity (Go SEA)

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