UCSF

ZINC00360045

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2005 22 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) 0.04 -2.99 -64.55 4 6 1 91 302.354 8
Lo Low (pH 4.5-6) 0.04 -2.87 -127.84 5 6 2 92 303.362 8

Activity (Go SEA)

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