UCSF

ZINC34628486

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 26 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) -0.89 8.18 -70.65 1 7 -1 95 361.349 4
Mid Mid (pH 6-8) -0.89 6.17 -19.78 2 7 0 92 362.357 4
Lo Low (pH 4.5-6) -3.63 4.86 -32.73 2 7 0 98 362.357 3

Activity (Go SEA)

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