UCSF

ZINC08837574

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 36 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) 3.62 8.33 -58.29 0 8 -1 91 493.58 11
Mid Mid (pH 6-8) 3.04 -0.82 -49.73 1 8 1 86 495.596 11
Mid Mid (pH 6-8) 3.62 10.67 -75.49 1 8 0 93 494.588 11

Activity (Go SEA)

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