UCSF

ZINC37273706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.92 6.31 -3.18 1 3 0 24 292.398 6
Mid Mid (pH 6-8) 2.92 7.14 -40.33 2 3 1 29 293.406 6
Lo Low (pH 4.5-6) 2.92 7.99 -41.4 2 3 1 26 293.406 6
Lo Low (pH 4.5-6) 2.92 8.93 -127.15 3 3 2 30 294.414 6

Activity (Go SEA)

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