UCSF

ZINC09380566

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 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) 4.68 10.43 -63.21 0 6 -1 79 436.528 10
Mid Mid (pH 6-8) 5.13 9.9 -25.22 1 6 0 76 437.536 9
Mid Mid (pH 6-8) 4.10 0.86 -15.85 0 6 0 72 437.536 10

Activity (Go SEA)

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