UCSF

ZINC16741551

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) 3.60 11.27 -72.34 1 8 0 93 494.588 11
Hi High (pH 8-9.5) 3.60 8.95 -59.36 0 8 -1 91 493.58 11
Mid Mid (pH 6-8) 4.05 10.16 -58.16 2 8 1 90 495.596 10
Mid Mid (pH 6-8) 3.02 11.13 -64.48 1 8 1 87 495.596 11

Activity (Go SEA)

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