UCSF

ZINC16734810

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 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) 4.03 12.12 -68.19 1 8 0 100 492.572 13
Hi High (pH 8-9.5) 4.03 9.83 -57.01 0 8 -1 99 491.564 13
Mid Mid (pH 6-8) 4.48 10.95 -59.56 2 8 1 98 493.58 12
Mid Mid (pH 6-8) 3.45 11.98 -61.42 1 8 1 94 493.58 13

Activity (Go SEA)

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