UCSF

ZINC40663043

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 19 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) -2.73 -5.4 -23.06 4 9 0 133 267.245 2
Mid Mid (pH 6-8) -2.73 -4.4 -52.99 5 9 1 135 268.253 2
Mid Mid (pH 6-8) -2.41 -6.61 -56.68 3 9 -1 137 266.237 2
Mid Mid (pH 6-8) -2.41 -5.59 -53.93 4 9 0 139 267.245 2

Activity (Go SEA)

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