UCSF

ZINC67805180

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 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) 3.04 7.87 -38.82 3 4 1 45 301.458 6
Mid Mid (pH 6-8) 3.04 9.04 -113.49 4 4 2 50 302.466 6
Mid Mid (pH 6-8) 3.04 7.11 -46.99 3 4 1 49 301.458 6
Lo Low (pH 4.5-6) 3.04 9.53 -192.6 5 4 3 51 303.474 6

Activity (Go SEA)

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