UCSF

ZINC39849454

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 31 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) 2.49 7.91 -61.68 0 7 -1 86 486.342 7
Mid Mid (pH 6-8) 2.49 10.18 -74.74 1 7 0 87 487.35 7
Lo Low (pH 4.5-6) 2.49 9.29 -53.42 2 7 1 84 488.358 7

Activity (Go SEA)

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