UCSF

ZINC09339570

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 32 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) 3.11 11.27 -108.97 0 9 -2 146 436.42 10
Mid Mid (pH 6-8) 3.56 11.55 -56.07 1 9 -1 144 437.428 9
Mid Mid (pH 6-8) 2.53 0.8 -60.27 0 9 -1 140 437.428 10

Activity (Go SEA)

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