UCSF

ZINC08854742

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 35 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) 7.08 15.71 -24.36 1 8 0 120 462.465 6
Ref Reference (pH 7) 7.08 15.82 -21.79 1 8 0 120 462.465 6
Mid Mid (pH 6-8) 7.08 1.19 -53.58 2 8 1 121 463.473 6

Activity (Go SEA)

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