UCSF

ZINC34934798

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 3.49 6.68 -60.02 1 8 -1 102 493.58 11
Mid Mid (pH 6-8) 3.49 8.95 -78.49 2 8 0 104 494.588 11
Lo Low (pH 4.5-6) 3.49 8.19 -56.14 3 8 1 101 495.596 11

Activity (Go SEA)

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