UCSF

ZINC36611029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 26 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) 1.33 7.35 -62.24 0 7 -1 82 361.466 5
Mid Mid (pH 6-8) 1.33 9.55 -77.76 1 7 0 83 362.474 5
Lo Low (pH 4.5-6) 1.33 8.19 -47.79 2 7 1 80 363.482 5

Activity (Go SEA)

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