UCSF

ZINC09007524

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 34 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) 2.25 7.04 -53.15 0 10 -1 128 466.47 8
Mid Mid (pH 6-8) 1.66 -0.24 -59.05 1 10 1 123 468.486 8
Mid Mid (pH 6-8) 2.25 9.39 -71.72 1 10 0 129 467.478 8

Activity (Go SEA)

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