UCSF

ZINC37825013

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.74 5.86 -135.29 4 5 2 65 292.427 6
Mid Mid (pH 6-8) 0.74 5.7 -56.01 3 5 1 64 291.419 6
Lo Low (pH 4.5-6) 0.74 6.32 -190.87 5 5 3 67 293.435 6

Activity (Go SEA)

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