UCSF

ZINC36128723

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 14 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) -0.16 3.18 -114.15 4 3 2 45 193.294 3
Mid Mid (pH 6-8) -0.16 0.93 -41.82 3 3 1 44 192.286 3
Lo Low (pH 4.5-6) -0.16 1.39 -96.85 4 3 2 45 193.294 3

Activity (Go SEA)

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