UCSF

ZINC06621260

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 31 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) 4.28 9.35 -66.07 0 6 -1 79 422.501 9
Mid Mid (pH 6-8) 4.28 0.77 -16.04 1 6 0 76 423.509 9
Mid Mid (pH 6-8) 3.70 0.69 -25.91 0 6 0 72 423.509 9

Activity (Go SEA)

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