UCSF

ZINC36354355

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 28 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) 2.17 0.38 -59.08 1 9 -1 118 380.384 4
Ref Reference (pH 7) 1.99 3.09 -56.22 1 9 -1 114 380.384 4
Lo Low (pH 4.5-6) 1.72 2.27 -16.26 2 9 0 115 381.392 4
Lo Low (pH 4.5-6) 1.53 4.91 -17.18 2 9 0 111 381.392 4

Activity (Go SEA)

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