UCSF

ZINC08915021

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 28 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) 1.51 4.78 -60.76 0 7 -1 86 381.408 6
Mid Mid (pH 6-8) 1.51 7.11 -76.64 1 7 0 87 382.416 6
Lo Low (pH 4.5-6) 1.51 6.28 -56.61 2 7 1 84 383.424 6

Activity (Go SEA)

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