UCSF

ZINC37666796

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 37 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) 7.64 19.27 -27.87 2 5 1 57 496.675 9
Mid Mid (pH 6-8) 7.64 19.5 -15.61 1 5 0 56 495.667 9
Mid Mid (pH 6-8) 7.64 19.39 -36.04 2 5 1 60 496.675 9
Lo Low (pH 4.5-6) 7.64 19.19 -88.16 3 5 2 61 497.683 9

Activity (Go SEA)

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