UCSF

ZINC44882064

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) -1.26 2.42 -47.11 2 8 0 111 319.383 3
Mid Mid (pH 6-8) -1.26 0.28 -52.13 1 8 -1 110 318.375 3

Activity (Go SEA)

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