UCSF

ZINC37115469

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 4.23 6.16 -51.88 2 4 -1 72 311.144 4
Mid Mid (pH 6-8) 4.23 6.91 -109.77 1 4 -2 75 310.136 4
Lo Low (pH 4.5-6) 4.23 4.17 -8.59 3 4 0 70 312.152 4

Activity (Go SEA)

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