UCSF

ZINC08817939

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 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) 4.13 12.02 -72.99 1 6 0 74 456.97 9
Mid Mid (pH 6-8) 4.57 11.86 -43.64 2 6 1 71 457.978 8

Activity (Go SEA)

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