UCSF

ZINC35985454

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 29 No

Other Names:

MFCD00070251

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) -4.48 -6.04 -363.54 4 17 -4 282 479.124 8
Mid Mid (pH 6-8) -4.48 -7.2 -228.1 5 17 -3 279 480.132 8

Activity (Go SEA)

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