UCSF

ZINC27378844

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 26 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) 0.61 3.14 -15.91 1 7 0 69 361.49 7
Mid Mid (pH 6-8) 0.61 5.4 -39.06 2 7 1 70 362.498 7
Mid Mid (pH 6-8) 0.61 3.86 -40.18 2 7 1 70 362.498 7

Activity (Go SEA)

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