UCSF

ZINC08715674

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 28 No

Other Names:

MFCD08728987

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) 3.84 7.55 -56.1 1 5 -1 81 419.284 5
Mid Mid (pH 6-8) 4.29 6.36 -24.01 2 5 0 78 420.292 4
Mid Mid (pH 6-8) 3.26 7.39 -15.36 1 5 0 75 420.292 5

Activity (Go SEA)

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