UCSF

ZINC06813604

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 28 No

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) 1.68 4.86 -59.19 0 7 -1 86 401.464 7
Mid Mid (pH 6-8) 2.13 7.57 -48.35 2 7 1 84 403.48 6
Mid Mid (pH 6-8) 1.68 7.19 -77.05 1 7 0 87 402.472 7

Activity (Go SEA)

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