UCSF

ZINC37018968

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 0.32 1.95 -53.19 2 8 -1 118 309.327 5
Hi High (pH 8-9.5) 0.32 2.3 -78.63 2 8 -1 122 309.327 5
Lo Low (pH 4.5-6) 0.32 2.41 -55.37 3 8 0 119 310.335 5

Activity (Go SEA)

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