UCSF

ZINC36968716

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 Yes

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) 0.69 1.17 -52.74 2 7 -1 119 307.373 8
Mid Mid (pH 6-8) 1.15 -1.13 -92.13 1 7 -2 122 306.365 8
Lo Low (pH 4.5-6) 0.69 -0.81 -15.42 3 7 0 116 308.381 8

Activity (Go SEA)

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