UCSF

ZINC36778418

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 1.62 4.63 -11.36 1 4 0 53 242.278 3
Hi High (pH 8-9.5) 1.62 5.55 -55.42 0 4 -1 56 241.27 3
Lo Low (pH 4.5-6) 1.62 5.12 -33.88 2 4 1 55 243.286 3

Activity (Go SEA)

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